N-(2,5-dimethylphenyl)-4-pentoxybenzamide

C20H25NO2 — CID 4935012

IUPACN-(2,5-dimethylphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-4-5-6-13-23-18-11-9-17(10-12-18)20(22)21-19-14-15(2)7-8-16(19)3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyHJZRFCOGYJSBLO-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.12
Rot. Bonds7

About N-(2,5-dimethylphenyl)-4-pentoxybenzamide

N-(2,5-dimethylphenyl)-4-pentoxybenzamide (PubChem CID 4935012) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-pentoxybenzamide
PubChem CID4935012
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2,5-dimethylphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-4-5-6-13-23-18-11-9-17(10-12-18)20(22)21-19-14-15(2)7-8-16(19)3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyHJZRFCOGYJSBLO-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
3-[(4-decoxybenzoyl)amino]-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 19813902
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate
CID 2072193
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(4-ethoxyphenoxy)acetate
CID 19180385
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-pentoxybenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-pentoxybenzamide (CID 4935012) is N-(2,5-dimethylphenyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-pentoxybenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-pentoxybenzamide?
The InChIKey is HJZRFCOGYJSBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-5-6-13-23-18-11-9-17(10-12-18)20(22)21-19-14-15(2)7-8-16(19)3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-4-pentoxybenzamide?
N-(2,5-dimethylphenyl)-4-pentoxybenzamide has a molecular weight of 311.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-pentoxybenzamide is sourced from PubChem (CID 4935012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).